SCHEMBL3983946

SCHEMBL3983946

NC(=O)C1[C@H]2CCCC[C@@H]12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.42
POLB P06746 2/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALOX5 P09917 2/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
CYP2D6 P10635 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GLI1 P08151 1/20 0.34
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
OAT P04181 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1660648 1.00 EPHX1 (0.42) EPHX1POLBNPC1RAB9ACES2
SCHEMBL3981840 0.97 EPHX1 (0.42) EPHX1POLBNPC1RAB9ACES2
SCHEMBL3980477 0.97 EPHX1 (0.42) EPHX1POLBNPC1RAB9ACES2
SCHEMBL3983137 0.94
SCHEMBL9963064 0.94
SCHEMBL27249769 0.76
SCHEMBL17662473 0.76
SCHEMBL25467330 0.73 POLB (0.52) POLBNPC1RAB9ACES2CES1
SCHEMBL301135 0.73 POLB (0.52) POLBNPC1RAB9ACES2CES1
SCHEMBL18419252 0.73 POLB (0.52) POLBNPC1RAB9ACES2CES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563910-B2 Heterocyclic cannabinoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-07-21 US claimed
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP claimed
EP-1562575-B1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY ABBOTT LAB (US) 2009-05-20 EP claimed
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 US claimed
US-20040209859-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-10-21 US claimed
US-20040077617-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-04-22 US claimed
US-8487133-B2 Substituted bicyclo [4.1.0] heptane-7-carboxylic acid amides and derivatives thereof as food flavor substances SYMRISE AG (DE) 2013-07-16 US disclosed
US-8487133-B2 Substituted bicyclo [4.1.0] heptane-7-carboxylic acid amides and derivatives thereof as food flavor substances SYMRISE AG (DE) 2013-07-16 US disclosed
US-20100189863-A1 SUBSTITUTED BICYCLO [4.1.0] HEPTANE-7-CARBOXYLIC ACID AMIDES AND DERIVATIVES THEREOF AS FOOD FLAVOR SUBSTANCES SYMRISE GMBH & CO.KG (DE) 2010-07-29 US disclosed
US-7563910-B2 Heterocyclic cannabinoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-07-21 US disclosed
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP disclosed
EP-1562575-B1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY ABBOTT LAB (US) 2009-05-20 EP disclosed
WO-2008046895-A1 SUBSTITUTED BICYCLO[4.1.0]HEPTANE-7-CARBOXYLIC ACID AMIDES AND DERIVATIVES THEREOF AS FOOD FLAVOR SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2008-04-24 WO disclosed
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 US disclosed
US-20040209859-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-10-21 US disclosed
US-20040077617-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-04-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040209859-A1 Fused cycloalkyl amides and acids and their therapeutic applications GRIN2A, GRIK1, GRIN2B EPHX1 1196/4885POLB 2882/4885NPC1 527/4885
US-20100189863-A1 SUBSTITUTED BICYCLO [4.1.0] HEPTANE-7-CARBOXYLIC ACID AMIDES AND DERIVATIVES THEREOF AS FOOD FLAVOR SUBSTANCES HCAR3, TAS2R1, HCAR1 EPHX1 2180/4885POLB 3494/4885NPC1 4096/4885
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists CNR1, CNR2, GPR18 EPHX1 567/4885POLB 4626/4885NPC1 359/4885
US-20040077617-A1 Fused cycloalkyl amides and acids and their therapeutic applications GRIN2A, GRIK1, GRIN2B EPHX1 1196/4885POLB 2882/4885NPC1 527/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.